SCHEMBL19329082

SCHEMBL19329082

C=Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@H](C=O)C2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 12/20 0.42
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19329080 1.00 PTPN1 (0.45) PTPN1HDAC1HDAC8NR1H2MEN1
SCHEMBL19329090 0.86 PTPN1 (0.44) PTPN1HDAC1HDAC8NR1H2MEN1
SCHEMBL19329089 0.86 PTPN1 (0.44) PTPN1HDAC1HDAC8NR1H2MEN1
SCHEMBL19460348 0.84 HDAC8 (0.48) PTPN1HDAC8NR1H2MEN1KMT2A
SCHEMBL19460349 0.84 HDAC8 (0.48) PTPN1HDAC8NR1H2MEN1KMT2A
SCHEMBL29798802 0.83 HDAC8 (0.46) PTPN1HDAC8NR1H2MEN1KMT2A
SCHEMBL2730295 0.83 HDAC8 (0.46) PTPN1HDAC8NR1H2MEN1KMT2A
SCHEMBL19329217 0.82 HDAC8 (0.53) PTPN1HDAC8
SCHEMBL19329216 0.82 HDAC8 (0.53) PTPN1HDAC8
SCHEMBL20784268 0.82 PTPN1 (0.41) PTPN1HDAC1HDAC8NR1H2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 US disclosed
EP-3426648-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 PTPN1 4467/4885HDAC1 98/4885HDAC8 707/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 PTPN1 4467/4885HDAC1 98/4885HDAC8 707/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.